N-[[4-(aminomethyl)phenyl]methyl]-2-(1-benzothiophen-3-yl)quinoline-4-carboxamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(1-benzothiophen-3-yl)quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(benzothiophen-3-yl)quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(1-benzothiophen-3-yl)-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(1-benzothiophen-3-yl)quinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-(benzothiophen-3-yl)cinchoninamide Formula: C26H21N3OS MolecularWeight: 423.52944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CSC4=CC=CC=C43)C(=O)NCC5=CC=C(C=C5)CN

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CSC4=CC=CC=C43)C(=O)NCC5=CC=C(C=C5)CN

InChI

InChI=1S/C26H21N3OS/c27-14-17-9-11-18(12-10-17)15-28-26(30)21-13-24(29-23-7-3-1-5-19(21)23)22-16-31-25-8-4-2-6-20(22)25/h1-13,16H,14-15,27H2,(H,28,30)